SCHEMBL9825106

SCHEMBL9825106

CN=C(NC)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.58
PLG P00747 10/20 0.58
F2 P00734 9/20 0.58
F12 P00748 6/20 0.58
KLK1 P06870 3/20 0.58
F10 P00742 3/20 0.58
C1R P00736 2/20 0.58
HGFAC Q04756 2/20 0.58
TMPRSS2 O15393 1/20 0.58
MLNR O43193 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
ITGB3 P05106 1/20 0.58
HPN P05981 1/20 0.58
CHRM2 P08172 1/20 0.58
ITGA2B P08514 1/20 0.58
C1S P09871 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
MAPT P10636 1/20 0.58
CHRM1 P11229 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9824643 0.96 FTO (0.64) PRSS1PLGF2F12KLK1
Hydrochloric Acid SCHEMBL9825728 0.95 FTO (0.63) PRSS1PLGF2F12KLK1
SCHEMBL14294845 0.86 PRSS1 (0.59) PRSS1PLGF2F12KLK1
SCHEMBL7406688 0.83 PRSS1 (0.62) PRSS1PLGF2F12KLK1
Nafamostat SCHEMBL16069975 0.83 PRSS1 (0.64) PRSS1PLGF2F12KLK1
Nafamostat SCHEMBL135503 0.83 PRSS1 (0.64) PRSS1PLGF2F12KLK1
Nafamostat SCHEMBL29429445 0.83 PRSS1 (0.64) PRSS1PLGF2F12KLK1
Nafamostat SCHEMBL29429443 0.83 PRSS1 (0.64) PRSS1PLGF2F12KLK1
SCHEMBL25633204 0.83 PRSS1 (0.76) PRSS1PLGF2F12KLK1
Nafamostat SCHEMBL3302794 0.82 PRSS1 (0.63) PRSS1PLGF2F12KLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190356-B1 NOVEL AMIDINE COMPOUNDS TORII & CO., LTD. (JP) 1991-03-06 EP disclosed
US-4820730-A ANTI-TRYPSIN, ANTI-PLASMIN, ANTI-THROMBIN, ANTI-KALLIKREIN ACTIVITY TORII & CO., LTD. (JP) 1989-04-11 US disclosed
US-4777182-A ENZYME, HORMONE, COMPLEMENT INHIBITORS TORII & CO., LTD. (JP) 1988-10-11 US disclosed
EP-0190356-A1 NOVEL AMIDINE COMPOUNDS TORII & CO., LTD. (JP) 1986-08-13 EP disclosed